(2S,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy(3,8'-bi-4H-1-benzopyran)-4,4'-dione

manniflavanone · [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2'-bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-, (2S,2'R,3R,3'R)- · [2S-[2alpha,3beta(2'S*,3'S*)]]-2,2'-bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy[3,8'-bi-4H-1-benzopyran]-4,4'-dione · (2S)-2α-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3β-[[(2R)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-4-oxo-3β,5,7-trihydroxy-2H-1-benzopyran]-8-yl]-4H-1-benzopyran-4-one

https://huagongshe.com/ko/chemical/198549

(2S,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy(3,8'-bi-4H-1-benzopyran)-4,4'-dione 분자 구조식

식별자 및 물리적 특성

CAS No.	73428-17-8
분자식	C30H22O13
평균 분자량	590.5 g/mol
단동위원소 질량	590.10604075 g/mol
SMILES	O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O
InChIKey	UKRJEVDCOVVSAB-BENTYHEHSA-N
PubChem CID	198549
EC No.	277-471-6
DTXSID	DTXSID20223658

화학 및 물리적 성질

XLogP	3.3
극성 표면적	235
수소 결합 공여자 수	9
수소 결합 수용자 수	13
회전 가능 결합 수	3
무거운 원자 수	43
형식 전하	0
복잡도	1,040
지질	Polyketides [PK] -> Flavonoids [PK12] -> Biflavonoids and polyflavonoids [PK1204]
끓는 점	1007.0±65.0 °C(Predicted)
밀도	1.761±0.06 g/cm3(Predicted)
pKa(산도 계수)	6.71±0.60(Predicted)